2-ethylquinolin-4-amine

• ChemBase ID: 245237
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: n1c2c(c(cc1CC)N)cccc2
• Canonical SMILES: CCc1cc(N)c2c(n1)cccc2
• InChI: InChI=1S/C11H12N2/c1-2-8-7-10(12)9-5-3-4-6-11(9)13-8/h3-7H,2H2,1H3,(H2,12,13)
• InChIKey: HGZUBAHTVWPZJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylquinolin-4-amine
• IUPAC Traditional name: 2-ethylquinolin-4-amine
• Synonyms: 2-ethylquinolin-4-amine

Database IDs

• MDL Number: MFCD16690993
• PubChem SID: 164301147
• PubChem CID: 19092253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3426364
• LogD (pH = 7.4): 0.91850436
• Log P: 2.1338806
• Molar Refractivity: 53.8981 cm^3
• Polarizability: 21.767632 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152 - 154°C
• Hydrophobicity(logP): 2.73

Product Information

• Purity: 95%